N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]carbothioyl-2-methyl-propanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]carbothioyl-2-methyl-propanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidine-5-carbothioyl)-2-methyl-propanamide CAS Name: N-[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidine-5-carbothioyl)-2-methylpropanamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidine-5-carbothioyl)-2-methyl-propionamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(=O)NC(=S)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C16H18N4O3S/c1-9(2)13(21)18-15(24)11-12(17)20(16(23)19-14(11)22)8-10-6-4-3-5-7-10/h3-7,9H,8,17H2,1-2H3,(H,18,21,24)(H,19,22,23)